REMARK  Name = BDB057068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.868   1.429   1.230  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.745   1.058   0.895  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.651   1.930   0.921  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1       -1.461  -0.220   0.480  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -0.591  -0.338  -0.004  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        0.771   1.617   0.623  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        1.368   0.551   1.550  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        2.821   0.267   1.173  0.00  0.00    +0.086 C 
ATOM      9  N   LIG    1        3.039   0.022  -0.251  0.00  0.00    -0.297 NA
ATOM     10  C   LIG    1        1.854   0.082  -1.103  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1        1.042   1.355  -0.867  0.00  0.00    +0.038 C 
BRANCH   9  12
ATOM     12  C   LIG    1        3.890  -1.148  -0.535  0.00  0.00    +0.141 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.200  -2.462  -0.297  0.00  0.00    +0.073 A 
ATOM     14  N   LIG    1        2.429  -3.047  -1.284  0.00  0.00    -0.240 NA
ATOM     15  C   LIG    1        2.006  -4.183  -0.780  0.00  0.00    +0.196 A 
ATOM     16  N   LIG    1        2.445  -4.355   0.501  0.00  0.00    -0.351 N 
ATOM     17  H   LIG    1        2.241  -5.149   1.092  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1        3.216  -3.272   0.822  0.00  0.00    +0.108 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   6
BRANCH   4  19
ATOM     19  C   LIG    1       -2.284  -1.363   0.526  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -1.761  -2.543  -0.022  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -2.490  -3.745   0.009  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -3.761  -3.752   0.596  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.287  -2.582   1.141  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.549  -1.395   1.110  0.00  0.00    +0.023 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -1.885  -5.004  -0.555  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1       -0.823  -5.443   0.183  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -1.409  -4.844  -1.821  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -2.752  -6.053  -0.613  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
ENDBRANCH   4  19
BRANCH   3  29
ATOM     29  C   LIG    1       -0.947   3.337   1.219  0.00  0.00    +0.144 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -0.920   4.200  -0.023  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1       -1.943   4.096  -0.977  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -1.917   4.878  -2.132  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.869   5.771  -2.347  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        0.153   5.884  -1.406  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        0.129   5.103  -0.249  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 7